6-(4-methoxy-3,5-dimethylphenyl)pyridin-2-amine

• ChemBase ID: 691333
• Molecular Formular: C14H16N2O
• Molecular Mass: 228.28964
• Monoisotopic Mass: 228.12626314
• SMILES: n1c(c2cc(c(c(c2)C)OC)C)cccc1N
• Canonical SMILES: COc1c(C)cc(cc1C)c1cccc(n1)N
• InChI: InChI=1S/C14H16N2O/c1-9-7-11(8-10(2)14(9)17-3)12-5-4-6-13(15)16-12/h4-8H,1-3H3,(H2,15,16)
• InChIKey: QEIAAPPKQGNMDN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-(4-methoxy-3,5-dimethylphenyl)pyridin-2-amine
• IUPAC Traditional name: 6-(4-methoxy-3,5-dimethylphenyl)pyridin-2-amine
• Synonyms: 6-(4-methoxy-3,5-dimethylphenyl)pyridin-2-amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 2.5664515
• LogD (pH = 7.4): 3.388449
• Log P: 3.4233522
• Molar Refractivity: 70.2248 cm^3
• Polarizability: 27.61321 Å^3
• Polar Surface Area: 48.14 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 1
• Log P: 3.44
• LOG S: -3.8
• Polar Surface Area: 48.14 Å^2
• Rotatable Bonds: 2